⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL21115575 | 0.86 | — | — | |
| SCHEMBL3904564 | 0.69 | — | — | |
| SCHEMBL14355301 | 0.67 | — | — | |
| SCHEMBL3953140 | 0.67 | — | — | |
| SCHEMBL16796994 | 0.66 | — | — | |
| SCHEMBL20720571 | 0.63 | — | — | |
| SCHEMBL14983323 | 0.62 | SHBG (0.32) | — | |
| SCHEMBL3885879 | 0.61 | SHBG (0.31) | — | |
| SCHEMBL3895392 | 0.61 | SHBG (0.31) | — | |
| SCHEMBL14470840 | 0.60 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4868337-A | Optically active borinic esters and ketones | ALDRICH-BORANES, INC. (US) | 1989-09-19 | — | — | US | disclosed |
| US-4795821-A | Optically active borinic esters and ketones | ALDRICH-BORANES, INC. (US) | 1989-01-03 | — | — | US | disclosed |